SCHEMBL7542884

SCHEMBL7542884

Cc1cc2oc(=O)n(C)c2cc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.54
MAPT P10636 3/20 0.54
PKM P14618 11/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
TAS2R14 Q9NYV8 1/20 0.45
LMNA P02545 2/20 0.43
GFER P55789 1/20 0.43
CA9 Q16790 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7538701 0.87 PKM (0.55) TP53MAPTPKMKMT2AMEN1
SCHEMBL7534803 0.87 PKM (0.57) TP53MAPTPKMKMT2AMEN1
SCHEMBL7537494 0.87 PKM (0.60) TP53MAPTPKMKMT2AMEN1
SCHEMBL7539651 0.85 PKM (0.57) TP53MAPTPKMKMT2AMEN1
SCHEMBL13075716 0.83 TP53 (0.56) TP53MAPTPKMKMT2AMEN1
SCHEMBL7541848 0.83 PKM (0.67) TP53PKMKMT2AMEN1TAS2R14
SCHEMBL7538429 0.82 PKM (0.71) TP53MAPTPKMKMT2AMEN1
SCHEMBL7538485 0.81 PKM (0.72) TP53MAPTPKMKMT2AMEN1
SCHEMBL7537618 0.81 PKM (0.68) TP53PKMKMT2AMEN1TAS2R14
SCHEMBL7536210 0.80 PKM (0.54) TP53PKMKMT2AMEN1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE AGIOS PHARMACEUTICALS INC (US) 2017-01-12 US disclosed
EP-2427441-B1 PKM2 ACTIVATORS FOR USE IN THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE AGIOS PHARMACEUTICALS, INC (US) 2014-09-04 US disclosed
US-8501953-B2 PKM2 modulators for use in the treatment of cancer AGIOS PHARMACEUTICALS, INC (US) 2013-08-06 US disclosed
WO-2013056153-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE KUNG CHARLES (US) 2013-04-18 WO disclosed
US-20120122849-A1 PKM2 MODULATORS FOR USE IN THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS, INC. 2012-05-17 US disclosed
WO-2010129596-A1 PMK2 MODULATORS FOR USE IN THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120122849-A1 PKM2 MODULATORS FOR USE IN THE TREATMENT OF CANCER PDK2, PDK1, PDK3 TP53 302/4885MAPT 3769/4885PKM 5/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 TP53 722/4885MAPT 2681/4885PKM 11/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 TP53 722/4885MAPT 2681/4885PKM 11/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.